Electronic Structure Modulation and Enhanced Optical-Thermoelectric Performance Through Relativistic Band Engineering in Eu-doped La2O3 (1.25%, 2.25%): Advancing PC-LED Technology Via GGA+U+SOC Analysis
Journal of Physics and Chemistry of Solids（2025）
关键词
DFT,Spin orbit coupling,DFT + U,Wien2k code,Optoelectronic Properties,Thermoelectric properties
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